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DocumentationIdentifier: MM212548
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM212548 |
| SMILES |
CC1C(CCC#N)N1C
|
| InChIKey |
ZSERCJDMRCMTCH-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
0.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM460125
Similarity: 0.8609
Similarity to MM460125
| Tanimoto metric | 0.8609 |
|---|---|
| Cosine metric | 0.9279 |
| Dice metric | 0.9253 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM216635
Similarity: 0.6993
Similarity to MM216635
| Tanimoto metric | 0.6993 |
|---|---|
| Cosine metric | 0.8251 |
| Dice metric | 0.823 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM460358
Similarity: 0.6915
Similarity to MM460358
| Tanimoto metric | 0.6915 |
|---|---|
| Cosine metric | 0.8316 |
| Dice metric | 0.8176 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+247 more
